ethyl 2-cyano-2-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl-pentanoyl-amino]ethanoate

Systemtic Name: ethyl 2-cyano-2-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl-pentanoyl-amino]ethanoate Openeye Name: ethyl 2-cyano-2-[[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]phenyl]methyl-pentanoyl-amino]acetate CAS Name: 2-cyano-2-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl-(1-oxopentyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl-pentanoylamino]acetate Traditional Name: 2-cyano-2-[[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]benzyl]-valeryl-amino]acetic acid ethyl ester Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N=CN(C)C)C(C#N)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)/N=C/N(C)C)C(C#N)C(=O)OCC

InChI

InChI=1S/C26H32N4O5S/c1-5-7-12-25(31)30(23(17-27)26(32)35-6-2)18-20-13-15-21(16-14-20)22-10-8-9-11-24(22)36(33,34)28-19-29(3)4/h8-11,13-16,19,23H,5-7,12,18H2,1-4H3/b28-19+